2YLW
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Arg337Lys MUTANT IN COMPLEX WITH MES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 107.730, 107.730, 106.030 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.700 - 2.900 |
R-factor | 0.18437 |
Rwork | 0.180 |
R-free | 0.26552 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ylr |
RMSD bond length | 0.022 |
RMSD bond angle | 2.023 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.050 | 0.180 |
Number of reflections | 15840 | |
<I/σ(I)> | 20.8 | 12.9 |
Completeness [%] | 98.0 | 97.6 |
Redundancy | 4.6 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | SEE PDB ENTRY 2YLR, pH 6.5 |